5-[(2-methoxypyridin-4-yl)methyl]-1-phenethyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 5-[(2-methoxypyridin-4-yl)methyl]-1-phenethyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(2-methoxy-4-pyridyl)methyl]-1-phenethyl-pyrimidin-4-one CAS Name: 5-[(2-methoxy-4-pyridinyl)methyl]-1-phenethyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-5-[(2-methoxypyridin-4-yl)methyl]-1-phenethylpyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[(2-methoxy-4-pyridyl)methyl]-1-phenethyl-pyrimidin-4-one Formula: C26H25N3O2S MolecularWeight: 443.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=NC=CC(=C1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-31-24-17-22(12-14-27-24)16-23-18-29(15-13-20-8-4-2-5-9-20)26(28-25(23)30)32-19-21-10-6-3-7-11-21/h2-12,14,17-18H,13,15-16,19H2,1H3